HQS Spin Mapper API Reference

This document contains the API reference documentation for HQS Spin Mapper.

`hqs_spin_mapper`	HQS Spin Mapper facilitates the derivation of effective spin-bath model Hamiltonians for real input materials from first principles.
`hqs_spin_mapper.spin_mapper_protocols`	Module containing the protocols for transformable objects of the HQS Spin Mapper.
`hqs_spin_mapper.transformables`	Module containing the provided transformable objects for the HQS Spin Mapper.
`hqs_spin_mapper.orbital_optimization`	Identify the basis of maximally spin-like orbitals from given set of 1-RDMs and 2-RDMs.
`hqs_spin_mapper.preconditioning`	Modules for the preconditioning of the Hamiltonian prior to Schrieffer-Wolff transformation.
`hqs_spin_mapper.schrieffer_wolff`	Module containing the Schrieffer-Wolff transformation functionality in Python.
`hqs_spin_mapper.linear_algebraic_schrieffer_wolff`	Routines for the linear algebraic type Schrieffer-Wolff transformation in C++.
`hqs_spin_mapper.extract_couplings`	Determine the matrix- and tensor descriptions of the effective spin-bath model.
`hqs_spin_mapper.struqture_interface`	Interface between the hqs_spin_mapper and struqture_py v1.0 package.

Indices and tables